9IGD

Structure of human Bcl-xL in complex with small molecule inhibitor

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Apoptosis regulator Bcl-2,Bcl-2-like protein 1	polymer	159	18202.1	2	UniProt (P10415) UniProt (Q07817) Pfam (PF02180) Pfam (PF00452)	Homo sapiens (human)	Bcl2-L-1,Apoptosis regulator Bcl-X
2	C, E (A, B)	2-[[6-(1,3-benzothiazol-2-ylamino)-5-methyl-pyridazin-3-yl]-methyl-amino]-1,3-thiazole-4-carboxylic acid	non-polymer		398.5	2	Chemie (A1I37)
3	D, F (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL) PubChem (312)
4	G, H (A, B)	water	water		18.0	51	Chemie (HOH)

Sequence modifications

A, B: 3 - 27 (UniProt: P10415)

PDB	External Database	Details
Gly 1	-	expression tag
Ser 2	-	expression tag

A, B: 28 - 45 (UniProt: Q07817)

PDB	External Database	Details
Ala 28	Ser 28	engineered mutation
Val 45	Met 45	engineered mutation

A, B: 86 - 155 (UniProt: Q07817)

PDB	External Database	Details
Leu 114	Ile 114	engineered mutation
Gly 121	Gln 121	engineered mutation
Ala 124	Glu 124	engineered mutation
Thr 125	Gln 125	engineered mutation

A, B: 156 - 199 (UniProt: P10415)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	36404.2
Non-Polymers*	Number of molecules	4
	Total formula weight	867.8
All*	Total formula weight	37272.1

*Water molecules are not included.